CID 116004

6-(heptyloxy)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C10H19N5O
SMILES
CCCCCCCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C10H19N5O/c1-2-3-4-5-6-7-16-10-14-8(11)13-9(12)15-10/h2-7H2,1H3,(H4,11,12,13,14,15)
InChIKey
VRNJKSSGPWBMEW-UHFFFAOYSA-N
Compound name
6-heptoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.15897 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.16625 152.0
[M+Na]+ 248.14819 162.1
[M+NH4]+ 243.19279 157.5
[M+K]+ 264.12213 156.8
[M-H]- 224.15169 152.4
[M+Na-2H]- 246.13364 156.5
[M]+ 225.15842 153.1
[M]- 225.15952 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.